SCHEMBL21642986

SCHEMBL21642986

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccc(C)c3c2C2(CC2)CO3)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RET P07949 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21642985 1.00 SCN9A (0.37) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL20289650 0.90 TSHR (0.31) TSHR
SCHEMBL21857661 0.89 SCN9A (0.34) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL21857662 0.89 SCN9A (0.34) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL21953200 0.89 SCN9A (0.34) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL30066002 0.89 SCN9A (0.34) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL19011559 0.87 SCN9A (0.43) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL22712643 0.87 SCN9A (0.43) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL15303825 0.87 HDAC4 (0.36) SCN9AMAPTALDH1A1KDM4EGLA
SCHEMBL16200798 0.87 HDAC4 (0.36) SCN9AMAPTALDH1A1KDM4EGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390394-B1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed
US-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-12-03 US disclosed
US-20200039970-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS AUTIFONY SRL (IT) 2020-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200377485-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS KCNA3, KCNN3, KCND3 SCN9A 100/4885MAPT 3209/4885ALDH1A1 2103/4885
US-20200039970-A1 HYDANTOIN MODULATORS OF KV3 CHANNELS KCNA3, KCNQ3, KCNN3 SCN9A 127/4885MAPT 4092/4885ALDH1A1 2319/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.